5-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;N-methyl-2,3-dihydro-1H-indene-2-carboxamide

C21H25ClN2O — CID 178168900

IUPAC5-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;N-methyl-2,3-dihydro-1H-indene-2-carboxamide
SMILESCN1CCc2c(Cl)cccc2C1.CNC(=O)C1Cc2ccccc2C1
InChIInChI=1S/C11H13NO.C10H12ClN/c1-12-11(13)10-6-8-4-2-3-5-9(8)7-10;1-12-6-5-9-8(7-12)3-2-4-10(9)11/h2-5,10H,6-7H2,1H3,(H,12,13);2-4H,5-7H2,1H3
InChIKeyHHQGAYYIYORJNT-UHFFFAOYSA-N
MW356.90 g/mol
LogP3.48
Rot. Bonds1

About 5-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;N-methyl-2,3-dihydro-1H-indene-2-carboxamide

5-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;N-methyl-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 178168900) has the molecular formula C21H25ClN2O and a molecular weight of 356.90 g/mol. Its IUPAC name is 5-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;N-methyl-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;N-methyl-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID178168900
Molecular FormulaC21H25ClN2O
Molecular Weight356.90 g/mol
Exact Mass356.17
IUPAC Name5-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;N-methyl-2,3-dihydro-1H-indene-2-carboxamide
SMILESCN1CCc2c(Cl)cccc2C1.CNC(=O)C1Cc2ccccc2C1
InChIInChI=1S/C11H13NO.C10H12ClN/c1-12-11(13)10-6-8-4-2-3-5-9(8)7-10;1-12-6-5-9-8(7-12)3-2-4-10(9)11/h2-5,10H,6-7H2,1H3,(H,12,13);2-4H,5-7H2,1H3
InChIKeyHHQGAYYIYORJNT-UHFFFAOYSA-N
XLogP3.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;N-methyl-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of 5-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;N-methyl-2,3-dihydro-1H-indene-2-carboxamide (CID 178168900) is 5-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;N-methyl-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for 5-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;N-methyl-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for 5-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;N-methyl-2,3-dihydro-1H-indene-2-carboxamide is CN1CCc2c(Cl)cccc2C1.CNC(=O)C1Cc2ccccc2C1.
What is the InChIKey of 5-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;N-methyl-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is HHQGAYYIYORJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO.C10H12ClN/c1-12-11(13)10-6-8-4-2-3-5-9(8)7-10;1-12-6-5-9-8(7-12)3-2-4-10(9)11/h2-5,10H,6-7H2,1H3,(H,12,13);2-4H,5-7H2,1H3.
What are the key properties of 5-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;N-methyl-2,3-dihydro-1H-indene-2-carboxamide?
5-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;N-methyl-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 356.90 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;N-methyl-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 178168900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).